Copper dehydroabietylammonium 2-ethylhexanoate
TL;DR: Copper dehydroabietylammonium 2-ethylhexanoate (CAS 53404-24-3) is a chemical compound with molecular formula C28H47NO2 and molecular weight 429.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methanamine;2-ethylhexanoic acid
Also Known As: Caswell No. 236, EPA Pesticide Chemical Code 041202, Copper dehydroabietylammonium 2-ethylhexanoate, Copper dehydroabietyl ammonium 2-ethylhexanoate, Copper dihydroabietyl ammonium 2-ethylhexanoate
| Molecular Formula | C28H47NO2 |
|---|---|
| Molecular Weight | 429.36 g/mol |
| LogP | 7.07 |
| Topological Polar Surface Area | 63.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 429.3607 |
| Heavy Atoms | 31 |
| Complexity | 475.0 |
Chemical Identifiers
| CAS Number | 53404-24-3 |
|---|---|
| SMILES | CCCCC(CC)C(=O)O.CC(C)C1=CC2=C(C=C1)[C@]3(CCC[C@@]([C@@H]3CC2)(C)CN)C |
| InChIKey | MBVKWXSVKWAOKX-WFBUOHSLSA-N |
Product Overview
Copper dehydroabietylammonium 2-ethylhexanoate (CAS 53404-24-3), with molecular formula C28H47NO2 and molecular weight 429.36 g/mol. IUPAC: [(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methanamine;2-ethylhexanoic acid.
Chemical Property Profile of Copper dehydroabietylammonium 2-ethylhexanoate
Property Insights of Copper dehydroabietylammonium 2-ethylhexanoate
The XLogP value of 7.07 indicates that Copper dehydroabietylammonium 2-ethylhexanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Copper dehydroabietylammonium 2-ethylhexanoate. Following Lipinski's Rule of Five, Copper dehydroabietylammonium 2-ethylhexanoate has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Copper dehydroabietylammonium 2-ethylhexanoate?
The CAS number of Copper dehydroabietylammonium 2-ethylhexanoate is 53404-24-3.
What is the molecular formula of Copper dehydroabietylammonium 2-ethylhexanoate?
The molecular formula of Copper dehydroabietylammonium 2-ethylhexanoate is C28H47NO2.
What is the molecular weight of Copper dehydroabietylammonium 2-ethylhexanoate?
The molecular weight of Copper dehydroabietylammonium 2-ethylhexanoate is 429.36 g/mol.
Where can I buy Copper dehydroabietylammonium 2-ethylhexanoate?
You can request a quote for Copper dehydroabietylammonium 2-ethylhexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Copper dehydroabietylammonium 2-ethylhexanoate?
Yes, KEHONG BIO provides custom synthesis services for Copper dehydroabietylammonium 2-ethylhexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.